Compound Identification
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1OC(COP(O)(=O)OC(=O)C2CS\C(N2)=C2/NC3=CC(=O)C=CC3=N2)[C@@H](O)[C@H]1O
InChIKey
InChIKey=INAJNRKIKRXZCD-VWYAOUQTSA-N
Formula
C21H21N8O9PS
Mass
592.48
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Nucleosides, nucleotides, and analogues
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Class
Purine nucleotides
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Subclass
Purine ribonucleotides
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Level 5
Purine ribonucleoside monophosphates
- Level 6 5'-acylphosphoadenosines
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Level 5
Purine ribonucleoside monophosphates
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Subclass
Purine ribonucleotides
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Class
Purine nucleotides
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Superclass
Nucleosides, nucleotides, and analogues
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Purine nucleotides
Subclass
Purine ribonucleotides
Intermediate Tree Nodes
Purine ribonucleoside monophosphates
Direct Parent
5'-acylphosphoadenosines
Alternative Parents
Pentose phosphates Glycosylamines Alpha amino acids and derivatives Monosaccharide phosphates 6-aminopurines Aminopyrimidines and derivatives Monoalkyl phosphates Acyl phosphates Imidolactams N-substituted imidazoles Thiazolidines Heteroaromatic compounds Oxolanes Vinylogous amides 1,2-diols Secondary alcohols Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5'-acylphosphoadenosine - Pentose-5-phosphate - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Monosaccharide phosphate - 6-aminopurine - Alpha-amino acid or derivatives - Imidazopyrimidine - Purine - Monoalkyl phosphate - Acyl phosphate - Aminopyrimidine - Phosphoric acid ester - Monosaccharide - Imidolactam - N-substituted imidazole - Alkyl phosphate - Organic phosphoric acid derivative - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Thiazolidine - Oxolane - Cyclic ketone - Secondary alcohol - Ketone - Amino acid or derivatives - 1,2-diol - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Primary amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated.
External Descriptors
Not available